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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL38576
Molecular formulaC21H24Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
Molecular weight391.336
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.6
SynonymsICI-199441
NCGC00024784-01
Tocris-0778
AC1MIZD0
SCHEMBL7640991
[ Show all ]
Inchi KeyAEJOEPSMZCEYJN-HXUWFJFHSA-N
Inchi IDInChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
PubChem CID3082718
ChEMBLCHEMBL38576
IUPHARN/A
BindingDB50007344
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Binding20.0 %PMID8071934ChEMBL
Binding25.0 %PMID8071934ChEMBL
Binding39.0 %PMID8071934ChEMBL
IC500.27 nMPMID8648612BindingDB
IC500.27 nMPMID8648612ChEMBL
IC501.5 nMPMID8071934BindingDB,ChEMBL
IC506.9 nMPMID1846918, PMID1659636BindingDB,ChEMBL
Ke0.05 nMPMID8201586ChEMBL

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